N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C15H22N4O — CID 107051522

IUPACN-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccc(C)cc1OC
InChIInChI=1S/C15H22N4O/c1-5-16-14(9-12-10-19(3)18-17-12)13-7-6-11(2)8-15(13)20-4/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyDDSYJXFEWIBXOV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.03
Rot. Bonds6

About N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107051522) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107051522
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)c1ccc(C)cc1OC
InChIInChI=1S/C15H22N4O/c1-5-16-14(9-12-10-19(3)18-17-12)13-7-6-11(2)8-15(13)20-4/h6-8,10,14,16H,5,9H2,1-4H3
InChIKeyDDSYJXFEWIBXOV-UHFFFAOYSA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050660
2-(2,5-dimethylpyrazol-3-yl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792395
[1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066553
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
1-(2,4-dimethoxyphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107051522) is N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)c1ccc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is DDSYJXFEWIBXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-16-14(9-12-10-19(3)18-17-12)13-7-6-11(2)8-15(13)20-4/h6-8,10,14,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107051522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).